SCHEMBL5924445

SCHEMBL5924445

Nc1nc2cc(Cl)cc(Cl)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
TYMS P04818 6/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP6 P51161 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5681122 0.81 FABP6 (0.47) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL11669082 0.81 FABP6 (0.43) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL7045022 0.79 CYP1A2 (0.40) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL8872830 0.76 ALDH1A1 (0.39) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL8186343 0.76 HTR3E (0.43) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL7044508 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL16134549 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL9505765 0.76 HTT (0.52) TYMSCYP1A2ALDH1A1KDM4EGRIN2D
SCHEMBL20863650 0.73 KDM4E (0.42) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL15844358 0.73 RAD52 (0.43) CYP1A2ALDH1A1KDM4EGRIN2DGRIN3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 HTR3E 1624/4885HTR3B 1148/4885HTR3A 1066/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.